methyl 2-[1-(1,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-(1,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-(1,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H23N3O5S/c1-13-12-16(20-21(13)2)18(23)22-10-8-14(9-11-22)28(25,26)17-7-5-4-6-15(17)19(24)27-3/h4-7,12,14H,8-11H2,1-3H3